CID 3060755

78239-29-9

Structural Information

Molecular Formula
C18H18ClNO
SMILES
C1CC2=CC=CC=C2C1CCNC(=O)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C18H18ClNO/c19-16-6-3-5-15(12-16)18(21)20-11-10-14-9-8-13-4-1-2-7-17(13)14/h1-7,12,14H,8-11H2,(H,20,21)
InChIKey
AEIVQVNPRJYLJT-UHFFFAOYSA-N
Compound name
3-chloro-N-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.1077 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.11498 169.7
[M+Na]+ 322.09692 183.5
[M+NH4]+ 317.14152 179.5
[M+K]+ 338.07086 175.8
[M-H]- 298.10042 175.2
[M+Na-2H]- 320.08237 177.4
[M]+ 299.10715 173.6
[M]- 299.10825 173.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.